In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 46 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.96 | 13.7 | -78.93 | 4 | 12 | 0 | 163 | 639.794 | 12 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 12.56 | -53.59 | 3 | 12 | -1 | 162 | 638.786 | 12 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 11.72 | -52.98 | 5 | 12 | 1 | 160 | 640.802 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.